Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 8/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30645978 | 0.79 | PDGFRA (0.48) | NPC1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL29111055 | 0.79 | PDGFRA (0.48) | NPC1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL19633706 | 0.73 | PDGFRA (0.57) | MAPTKMT2AMEN1HTTPDGFRA | |
| SCHEMBL12003929 | 0.70 | CTSV (0.50) | NPC1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL28429766 | 0.70 | HTT (0.45) | NPC1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL30646060 | 0.70 | KDR (0.45) | PDGFRAKDRPDGFRB | |
| SCHEMBL28423107 | 0.70 | KDR (0.45) | PDGFRAKDRPDGFRB | |
| SCHEMBL4909742 | 0.70 | EIF4A1 (0.47) | CYP2C9ALDH1A1MAPTMAPK1KMT2A | |
| SCHEMBL5082634 | 0.69 | ALDH1A1 (0.66) | NPC1CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL8808325 | 0.69 | MAPT (0.57) | NPC1CYP2C9CYP2C19ALDH1A1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111253385-A | Heterocyclic compound, preparation method and application | 遵义医科大学珠海校区 | 2020-06-09 | — | — | CN | disclosed |